Xanthoxylin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    90-24-4

    Molecular formula
    C10H12O4

    SMILES
    CC(=O)C1=C(C=C(C=C1OC)OC)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 71.44%
    Woody 47.14%
    Phenolic 47.0%
    Spicy 45.8%
    Vanilla 44.62%
    Fruity 42.84%
    Floral 42.0%
    Balsamic 38.28%
    Powdery 36.69%
    Herbal 30.56%

     

    Flavor
    Woody 28.97%
    Bitter 27.49%
    Phenolic 24.85%
    Spice 24.84%
    Camphor 23.05%
    Parsley 22.24%
    Eugenol 21.21%
    Ethyl benzoate 20.7%
    Smoky 20.7%
    Mild 20.58%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    8.12 (weak base)

    Molecular weight
    196.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    319°C

    Melting point expt.

    • 85 - 88 °C

    Flash point

    • 134.23 ˚C est.

  • Synonyms

    • Xanthoxylin
    • 90-24-4
    • 2'-Hydroxy-4',6'-dimethoxyacetophenone
    • Xanthoxyline
    • 1-(2-Hydroxy-4,6-dimethoxyphenyl)ethanone
    • Brevifolin
    • 2-Hydroxy-4,6-dimethoxyacetophenone
    • 1-(2-Hydroxy-4,6-dimethoxyphenyl)ethan-1-one
    • Brevifolin (Zanthoxylum)
    • Brevifolin (VAN)
    • 2,4-Di-O-methylphloroacetophenone
    • 4',6'-dimethoxy-2'-hydroxyacetophenone
    • Acetophenone der.
    • Phloracetophenone dimethyl ether
    • Phloroacetophenone 2,4-dimethyl ether
    • 4,6-Dimethoxy-2-hydroxyacetophenone
    • UNII-Z8RSY5TZPA
    • Z8RSY5TZPA
    • Ethanone, 1-(2-hydroxy-4,6-dimethoxyphenyl)-
    • 1-Acetyl-2-hydroxy-4,6-dimethoxybenzene
    • 6-Methoxypaeonol
    • MFCD00017243
    • XANTHOXYLIN [MI]
    • EINECS 201-978-3
    • NSC 17392
    • NSC-17392
    • 2-Hydroxyl-4,6-dimethoxy-acetophenone
    • XANTHOXYLINE [WHO-DD]
    • 2-Acetyl-3,5-dimethoxyphenol
    • AI3-26010
    • 1-(2-hydroxy-4,6-dimethoxy-phenyl)ethanone
    • Acetophenone, 2'-hydroxy-4',6'-dimethoxy-
    • CHEBI:10070
    • DTXSID10237981
    • 2-Hydroxy-4, 6-dimethoxyacetophenone
    • 4, 6-Dimethoxy-2-hydroxyacetophenone
    • PHLOROACETOPHENONE DIMETHYL ETHER
    • 2'-Hydroxy-4',6'-dimethoxy-Acetophenone
    • 1-(2-Hydroxy-4,6-dimethylphenyl)-ethanone
    • 1-(2-hydroxy-4,6-dimethoxyphenyl)-ethanone
    • Ethanone,1-(2-hydroxy-4,6-dimethoxyphenyl)-
    • 2',4'-DIMETHOXY-6'-HYDROXYACETOPHENONE
    • Spectrum_000577
    • SpecPlus_000713
    • Spectrum2_000463
    • Spectrum3_000181
    • Spectrum4_001499
    • Spectrum5_000237
    • Acetophenone,6'-dimethoxy-
    • SCHEMBL44708
    • BSPBio_001701
    • KBioGR_002137
    • KBioSS_001057
    • SPECTRUM200441
    • MLS002207182
    • DivK1c_006809
    • SPBio_000566
    • CHEMBL450288
    • KBio1_001753
    • KBio2_001057
    • KBio2_003625
    • KBio2_006193
    • KBio3_001201
    • DTXCID60160472
    • HY-N1063
    • NSC17392
    • CCG-38702
    • s4781
    • AKOS015856339
    • FH54275
    • SDCCGMLS-0066937.P001
    • 2'-hyroxy-4',6'-dimethoxyacetophenone
    • NCGC00095824-01
    • NCGC00095824-02
    • AC-35124
    • AS-40799
    • SMR001306755
    • SY048579
    • (2-hydroxy-4,6-dimethoxy-phenyl)-ethanone
    • CS-0016347
    • D2683
    • NS00039355
    • 1-(2-Hydroxy-4,6-dimethoxyphenyl)ethanone #
    • 2'-Hydroxy-4',6'-dimethoxyacetophenone, 97%
    • EN300-6477862
    • AQ-358/42007313
    • SR-05000002434
    • Acetophenone, 2'-hydroxy-4',6'-dimethoxy- (8CI)
    • SR-05000002434-1
    • BRD-K12260308-001-02-6
    • BRD-K12260308-001-04-2
    • Q18210424
    • Z1255434817
    • 2 inverted exclamation mark -Hydroxy-4 inverted exclamation mark ,6 inverted exclamation mark -dimethoxyacetophenone
    • 477-94-1

  • Applications

    Xanthoxylin (CAS 90-24-4) is a specialty chemical used primarily as an intermediate in organic synthesis and as an aroma/odorant component in formulations. Common applications include its use as a fragrance ingredient in perfumery; as an aromatic component in cosmetics and personal care; as an odorant additive in cleaning products; as a chemical intermediate in industrial manufacturing; and as a specialty intermediate for the polymer and plastics sector.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 73.16
    methanol 107.99
    isopropanol 48.91
    water 1.04
    ethyl acetate 135.94
    n-propanol 55.08
    acetone 241.33
    n-butanol 52.76
    acetonitrile 147.78
    DMF 539.47
    toluene 23.42
    isobutanol 40.45
    1,4-dioxane 235.31
    methyl acetate 169.71
    THF 484.13
    2-butanone 112.1
    n-pentanol 37.53
    sec-butanol 38.72
    n-hexane 4.0
    ethylene glycol 86.2
    NMP 370.08
    cyclohexane 6.46
    DMSO 656.52
    n-butyl acetate 51.1
    n-octanol 25.62
    chloroform 147.04
    n-propyl acetate 58.72
    acetic acid 109.21
    dichloromethane 157.54
    cyclohexanone 145.98
    propylene glycol 64.17
    isopropyl acetate 66.54
    DMAc 397.82
    2-ethoxyethanol 109.91
    isopentanol 42.76
    n-heptane 3.99
    ethyl formate 123.06
    1,2-dichloroethane 126.65
    n-hexanol 42.96
    2-methoxyethanol 291.95
    isobutyl acetate 36.71
    tetrachloromethane 29.58
    n-pentyl acetate 30.93
    transcutol 106.08
    n-heptanol 20.35
    ethylbenzene 19.37
    MIBK 65.49
    2-propoxyethanol 127.11
    tert-butanol 77.12
    MTBE 53.34
    2-butoxyethanol 48.57
    propionic acid 87.27
    o-xylene 22.27
    formic acid 84.78
    diethyl ether 64.32
    m-xylene 25.54
    p-xylene 25.19
    chlorobenzene 49.28
    dimethyl carbonate 130.72
    n-octane 2.01
    formamide 150.98
    cyclopentanone 272.22
    2-pentanone 106.07
    anisole 62.59
    cyclopentyl methyl ether 129.65
    gamma-butyrolactone 346.01
    1-methoxy-2-propanol 175.66
    pyridine 94.22
    3-pentanone 78.48
    furfural 257.28
    n-dodecane 2.54
    diethylene glycol 175.61
    diisopropyl ether 18.73
    tert-amyl alcohol 52.16
    acetylacetone 189.06
    n-hexadecane 3.03
    acetophenone 62.35
    methyl propionate 149.04
    isopentyl acetate 43.44
    trichloroethylene 220.36
    n-nonanol 23.31
    cyclohexanol 60.59
    benzyl alcohol 51.14
    2-ethylhexanol 29.27
    isooctanol 17.51
    dipropyl ether 32.57
    1,2-dichlorobenzene 52.32
    ethyl lactate 55.79
    propylene carbonate 160.11
    n-methylformamide 230.18
    2-pentanol 32.85
    n-pentane 3.27
    1-propoxy-2-propanol 68.24
    1-methoxy-2-propyl acetate 87.45
    2-(2-methoxypropoxy) propanol 60.72
    mesitylene 18.78
    ε-caprolactone 127.9
    p-cymene 16.12
    epichlorohydrin 317.55
    1,1,1-trichloroethane 122.65
    2-aminoethanol 77.13
    morpholine-4-carbaldehyde 277.58
    sulfolane 410.21
    2,2,4-trimethylpentane 3.03
    2-methyltetrahydrofuran 169.61
    n-hexyl acetate 50.38
    isooctane 2.78
    2-(2-butoxyethoxy)ethanol 67.56
    sec-butyl acetate 36.71
    tert-butyl acetate 72.59
    decalin 6.12
    glycerin 130.84
    diglyme 140.82
    acrylic acid 96.48
    isopropyl myristate 23.11
    n-butyric acid 92.76
    acetyl acetate 100.23
    di(2-ethylhexyl) phthalate 28.3
    ethyl propionate 70.75
    nitromethane 399.32
    1,2-diethoxyethane 39.42
    benzonitrile 62.03
    trioctyl phosphate 23.42
    1-bromopropane 47.36
    gamma-valerolactone 287.78
    n-decanol 18.49
    triethyl phosphate 39.78
    4-methyl-2-pentanol 23.83
    propionitrile 82.7
    vinylene carbonate 138.81
    1,1,2-trichlorotrifluoroethane 243.14
    DMS 77.38
    cumene 16.74
    2-octanol 15.76
    2-hexanone 57.72
    octyl acetate 30.54
    limonene 23.33
    1,2-dimethoxyethane 199.02
    ethyl orthosilicate 33.49
    tributyl phosphate 28.31
    diacetone alcohol 110.24
    N,N-dimethylaniline 45.86
    acrylonitrile 125.91
    aniline 50.31
    1,3-propanediol 113.27
    bromobenzene 44.92
    dibromomethane 88.0
    1,1,2,2-tetrachloroethane 179.34
    2-methyl-cyclohexyl acetate 43.4
    tetrabutyl urea 39.23
    diisobutyl methanol 19.39
    2-phenylethanol 49.99
    styrene 20.37
    dioctyl adipate 35.79
    dimethyl sulfate 274.52
    ethyl butyrate 47.23
    methyl lactate 116.24
    butyl lactate 33.84
    diethyl carbonate 39.65
    propanediol butyl ether 51.88
    triethyl orthoformate 36.39
    p-tert-butyltoluene 16.79
    methyl 4-tert-butylbenzoate 57.89
    morpholine 227.86
    tert-butylamine 36.13
    n-dodecanol 14.6
    dimethoxymethane 296.59
    ethylene carbonate 112.03
    cyrene 93.72
    2-ethoxyethyl acetate 49.64
    2-ethylhexyl acetate 34.91
    1,2,4-trichlorobenzene 63.41
    4-methylpyridine 97.04
    dibutyl ether 24.07
    2,6-dimethyl-4-heptanol 19.39
    DEF 142.25
    dimethyl isosorbide 116.14
    tetrachloroethylene 114.42
    eugenol 55.78
    triacetin 58.83
    span 80 44.67
    1,4-butanediol 47.69
    1,1-dichloroethane 101.61
    2-methyl-1-pentanol 31.59
    methyl formate 250.14
    2-methyl-1-butanol 38.79
    n-decane 3.89
    butyronitrile 77.39
    3,7-dimethyl-1-octanol 25.55
    1-chlorooctane 18.26
    1-chlorotetradecane 8.55
    n-nonane 3.5
    undecane 3.12
    tert-butylcyclohexane 5.86
    cyclooctane 2.92
    cyclopentanol 91.28
    tetrahydropyran 130.46
    tert-amyl methyl ether 46.66
    2,5,8-trioxanonane 101.56
    1-hexene 14.8
    2-isopropoxyethanol 65.69
    2,2,2-trifluoroethanol 82.41
    methyl butyrate 89.67

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction